2-(2,4-dimethoxyphenyl)-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethanone

C18H22N2O3 — CID 56812244

IUPAC2-(2,4-dimethoxyphenyl)-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethanone
SMILESCOc1ccc(CC(=O)N2CCCC2c2ccc[nH]2)c(OC)c1
InChIInChI=1S/C18H22N2O3/c1-22-14-8-7-13(17(12-14)23-2)11-18(21)20-10-4-6-16(20)15-5-3-9-19-15/h3,5,7-9,12,16,19H,4,6,10-11H2,1-2H3
InChIKeyIMZYJOFSEOVGMY-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.94
Rot. Bonds5

About 2-(2,4-dimethoxyphenyl)-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethanone

2-(2,4-dimethoxyphenyl)-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethanone (PubChem CID 56812244) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-(2,4-dimethoxyphenyl)-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2,4-dimethoxyphenyl)-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethanone
PubChem CID56812244
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Name2-(2,4-dimethoxyphenyl)-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethanone
SMILESCOc1ccc(CC(=O)N2CCCC2c2ccc[nH]2)c(OC)c1
InChIInChI=1S/C18H22N2O3/c1-22-14-8-7-13(17(12-14)23-2)11-18(21)20-10-4-6-16(20)15-5-3-9-19-15/h3,5,7-9,12,16,19H,4,6,10-11H2,1-2H3
InChIKeyIMZYJOFSEOVGMY-UHFFFAOYSA-N
XLogP2.94
TPSA54.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-(2,4-dimethoxyphenyl)ethanone
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2-(2,4-dimethoxyphenyl)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
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4-hydroxy-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]pentan-1-one
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1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]butane-1,3-dione
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(2-methoxyphenyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
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2-[2-oxo-2-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethyl]sulfanylacetic acid
CID 104569593
(3-amino-5-methoxyphenyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
CID 81093488
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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyphenyl)-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(2,4-dimethoxyphenyl)-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethanone (CID 56812244) is 2-(2,4-dimethoxyphenyl)-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(2,4-dimethoxyphenyl)-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(2,4-dimethoxyphenyl)-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethanone is COc1ccc(CC(=O)N2CCCC2c2ccc[nH]2)c(OC)c1.
What is the InChIKey of 2-(2,4-dimethoxyphenyl)-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethanone?
The InChIKey is IMZYJOFSEOVGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-22-14-8-7-13(17(12-14)23-2)11-18(21)20-10-4-6-16(20)15-5-3-9-19-15/h3,5,7-9,12,16,19H,4,6,10-11H2,1-2H3.
What are the key properties of 2-(2,4-dimethoxyphenyl)-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethanone?
2-(2,4-dimethoxyphenyl)-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethanone has a molecular weight of 314.39 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxyphenyl)-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 56812244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).